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Complex #1488 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID1488
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation2
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C55H33N9O2Ru/(1-71)(2-34)(3-76)(4-75)(5-40)(6-49)(7-37)(8-46)(9-38)(10-41)(11-72)(12-73)(13-48)(14-47)(15-50)(16-39)(17-42)(18-55)(19-58)(20-45)(21-35)(22-52)(23-51)(24-56)(25-53)(26-44)(27-43)(28-59)(29-54)(30-36)(31-57)(32-74)(33-90)(34-37)(34-71)(35-70)(35-81)(36-48)(36-60)(37-61)(38-50)(38-62)(39-51)(39-61)(40-52)(40-72)(41-53)(41-73)(42-45)(42-47)(43-44)(43-55)(44-63)(45-81)(46-49)(46-64)(47-70)(48-76)(49-75)(50-74)(51-62)(52-65)(53-67)(54-58)(54-59)(55-69)(56-57)(56-65)(57-67)(58-69)(59-68)(60-79)(60-84)(61-77)(62-78)(63-66)(63-87)(64-82)(64-85)(65-80)(66-68)(66-69)(67-83)(68-88)(70-86)(71-92)(72-93)(73-94)(74-95)(75-96)(76-89)(77-78)(77-92)(78-95)(79-82)(79-90)(80-83)(80-93)(81-91)(82-97)(83-94)(84-85)(84-89)(85-96)(86-90)(86-97)(87-91)(87-98)(88-91)(88-99)(92-100)(93-100)(94-100)(95-100)(96-100)(97-100)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SGC-790122— 10.1016/j.inoche.2016.06.020 2016
PC-1236— 10.1016/j.inoche.2016.06.020 2016
SiHa46— 10.1016/j.inoche.2016.06.020 2016
EC10952— 10.1016/j.inoche.2016.06.020 2016
HepG293— 10.1016/j.inoche.2016.06.020 2016
HeLa—— 10.1016/j.inoche.2016.06.020 2016
LO2—— 10.1016/j.inoche.2016.06.020 2016

Source-assisted 2D generator

Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.

experimental validation surface
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